SCHEMBL4898052

SCHEMBL4898052

COc1cc(C=O)cc(CN2CCN(c3ncccn3)CC2)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 8/20 0.55
MAPT P10636 5/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5605399 0.87 MAPK1 (0.57) MAPK1KDM4EGAAMAPTLMNA
SCHEMBL3100738 0.82 GAA (0.56) MAPK1KDM4EGAAMAPTLMNA
SCHEMBL3103923 0.81 GAA (0.53) MAPK1KDM4EGAAMAPTLMNA
SCHEMBL3101191 0.81 GAA (0.57) MAPK1KDM4EGAAMAPTLMNA
SCHEMBL3097222 0.78 KDM4E (0.56) MAPK1KDM4EGAAMAPTLMNA
SCHEMBL9251960 0.76 GAA (0.50) MAPK1KDM4EGAAMAPTLMNA
SCHEMBL5613204 0.75 MAPT (0.57) MAPK1KDM4EGAAMAPTLMNA
SCHEMBL5613203 0.75 MAPT (0.57) MAPK1KDM4EGAAMAPTLMNA
SCHEMBL5604541 0.75 GAA (0.49) MAPK1KDM4EGAAMAPTLMNA
SCHEMBL6139458 0.74 KMT2A (0.72) MAPK1KDM4EGAAMAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280920-A1 Plasminogen Activator Inhibitor-1 Inhibitors AMERICAN DIAGNOSTICA INC. 2008-11-13 US disclosed
EP-1960395-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS American Diagnostica Inc. (US) 2008-08-27 EP disclosed
WO-2007065261-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AMERICAN DIAGNOSTICA INC. (US) 2007-06-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080280920-A1 Plasminogen Activator Inhibitor-1 Inhibitors SERPINE1, SERPINC1, SERPINB1 MAPK1 1678/4885KDM4E 4282/4885GAA 1474/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.